1-[4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

C17H18ClF3N4OS — CID 168581404

IUPAC1-[4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2NCc2cnc(Cl)s2)CC1
InChIInChI=1S/C17H18ClF3N4OS/c1-11(26)24-4-6-25(7-5-24)15-3-2-12(17(19,20)21)8-14(15)22-9-13-10-23-16(18)27-13/h2-3,8,10,22H,4-7,9H2,1H3
InChIKeyQUFIYKGUTGYPEV-UHFFFAOYSA-N
MW418.87 g/mol
LogP4.10
Rot. Bonds4

About 1-[4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

1-[4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone (PubChem CID 168581404) has the molecular formula C17H18ClF3N4OS and a molecular weight of 418.87 g/mol. Its IUPAC name is 1-[4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
PubChem CID168581404
Molecular FormulaC17H18ClF3N4OS
Molecular Weight418.87 g/mol
Exact Mass418.08
IUPAC Name1-[4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2NCc2cnc(Cl)s2)CC1
InChIInChI=1S/C17H18ClF3N4OS/c1-11(26)24-4-6-25(7-5-24)15-3-2-12(17(19,20)21)8-14(15)22-9-13-10-23-16(18)27-13/h2-3,8,10,22H,4-7,9H2,1H3
InChIKeyQUFIYKGUTGYPEV-UHFFFAOYSA-N
XLogP4.10
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.87
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(4-thiazol-2-ylpiperidin-1-yl)-N-(m-tolyl)acetamide
CID 16094675
N-[2-amino-5-(4-fluorophenyl)phenyl]-5-piperazin-1-yl-1,3-thiazole-2-carboxamide
CID 134535381
US11319299, Example 162
CID 164607923
US11319299, Example 447
CID 164608088
US11319299, Example 496
CID 164608117
US11319299, Example 498
CID 164885350
(3R,4R)-N-[[4-(dimethylamino)phenyl]methyl]-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide
CID 155558961
N-(2-amino-5-pyridin-4-ylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide
CID 134535544
N-(2-amino-5-phenylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide
CID 134535567
N-[1-[[2-[3-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide
CID 134808374
1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 1480036
N-[2-(3-fluorophenyl)ethyl]-2-[4-(4-{[1-methyl-2-(1,3-thiazol-5-yl)ethyl]amino}-1-piperidinyl)phenyl]acetamide
CID 45225204

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone (CID 168581404) is 1-[4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2NCc2cnc(Cl)s2)CC1.
What is the InChIKey of 1-[4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The InChIKey is QUFIYKGUTGYPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N4OS/c1-11(26)24-4-6-25(7-5-24)15-3-2-12(17(19,20)21)8-14(15)22-9-13-10-23-16(18)27-13/h2-3,8,10,22H,4-7,9H2,1H3.
What are the key properties of 1-[4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
1-[4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 418.87 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 168581404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).